#DFF:MSD
#Model Structure Data File     Time = 2009-05-26 13:43:54    Energy =  76.681357
PBC:      21.291028   21.291028   21.291028   90.000000   90.000000   90.000000
28
1     C0     6      c2           c_4    -0.129000  -5.527842    1.412476     -1.537813    1     UNK   1    
2     C1     6      c1           c_4    -0.086000  -5.354515    0.770159     -0.056455    1     UNK   2    
3     C2     6      c1           c_4    -0.086000  -5.283160    -0.748433    0.091408     1     UNK   3    
4     C3     6      c2           c_4    -0.129000  -5.110613    -1.401846    1.562492     1     UNK   4    
5     H4     1      h3           h_1    0.043000   -5.589193    0.595970     -2.446561    1     UNK   1    
6     H5     1      h3           h_1    0.043000   -6.525077    1.942971     -1.393303    1     UNK   1    
7     H6     1      h3           h_1    0.043000   -4.563543    2.015879     -1.591194    1     UNK   1    
8     H7     1      h3           h_1    0.043000   -6.152283    1.139941     0.594518     1     UNK   2    
9     H8     1      h3           h_1    0.043000   -4.472425    1.202520     0.425189     1     UNK   2    
10    H9     1      h3           h_1    0.043000   -4.589776    -1.108653    -0.597477    1     UNK   3    
11    H10    1      h3           h_1    0.043000   -6.071478    -1.163750    -0.448195    1     UNK   3    
12    H11    1      h3           h_1    0.043000   -5.105784    -2.448568    1.225681     1     UNK   4    
13    H12    1      h3           h_1    0.043000   -4.085341    -0.983963    1.888178     1     UNK   4    
14    H13    1      h3           h_1    0.043000   -6.078000    -1.057576    2.089172     1     UNK   4    
15    C0     6      c2           c_4    -0.129000  4.257171     -1.744516    -0.422469    2     UNK   5    
16    C1     6      c1           c_4    -0.086000  4.815052     -0.222079    -0.511968    2     UNK   6    
17    C2     6      c1           c_4    -0.086000  5.836050     0.257052     0.518097     2     UNK   7    
18    C3     6      c2           c_4    -0.129000  6.400511     1.772378     0.440191     2     UNK   8    
19    H4     1      h3           h_1    0.043000   4.717596     -2.405854    0.497776     2     UNK   5    
20    H5     1      h3           h_1    0.043000   3.151444     -1.526552    -0.259362    2     UNK   5    
21    H6     1      h3           h_1    0.043000   4.619129     -2.133105    -1.429842    2     UNK   5    
22    H7     1      h3           h_1    0.043000   3.971108     0.474123     -0.506246    2     UNK   6    
23    H8     1      h3           h_1    0.043000   5.227164     -0.045150    -1.509910    2     UNK   6    
24    H9     1      h3           h_1    0.043000   6.592770     -0.456184    0.579976     2     UNK   7    
25    H10    1      h3           h_1    0.043000   5.484840     0.002030     1.465069     2     UNK   7    
26    H11    1      h3           h_1    0.043000   7.065068     1.694639     1.312774     2     UNK   8    
27    H12    1      h3           h_1    0.043000   6.930605     1.774852     -0.584890    2     UNK   8    
28    H13    1      h3           h_1    0.043000   5.440514     2.391236     0.605152     2     UNK   8    
26
1     2     1   
2     3     1   
3     4     1   
1     5     1   
1     6     1   
1     7     1   
2     8     1   
2     9     1   
3     10    1   
3     11    1   
4     12    1   
4     13    1   
4     14    1   
15    16    1   
16    17    1   
17    18    1   
15    19    1   
15    20    1   
15    21    1   
16    22    1   
16    23    1   
17    24    1   
17    25    1   
18    26    1   
18    27    1   
18    28    1   
